3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine

C16H11Cl2NO — CID 11544009

IUPAC3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2c(Cl)c(-c3cccnc3)ccc2c1Cl
InChIInChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3
InChIKeyHSQPJHLNSQHIOX-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.22
Rot. Bonds2

About 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine

3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine (PubChem CID 11544009) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine.

Molecular Properties

Compound Name3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine
PubChem CID11544009
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine
SMILESCOc1ccc2c(Cl)c(-c3cccnc3)ccc2c1Cl
InChIInChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3
InChIKeyHSQPJHLNSQHIOX-UHFFFAOYSA-N
XLogP5.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine?
The IUPAC name of 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine (CID 11544009) is 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine.
What is the SMILES notation for 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine?
The canonical SMILES for 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine is COc1ccc2c(Cl)c(-c3cccnc3)ccc2c1Cl.
What is the InChIKey of 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine?
The InChIKey is HSQPJHLNSQHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c1-20-14-7-6-12-13(16(14)18)5-4-11(15(12)17)10-3-2-8-19-9-10/h2-9H,1H3.
What are the key properties of 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine?
3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine has a molecular weight of 304.18 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dichloro-6-methoxynaphthalen-2-yl)pyridine is sourced from PubChem (CID 11544009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).